Base information
| Cat. No. | |
| CAS No. | 1241-87-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18O9 |
| Molecular Weight | 354.309 |
| Exact Mass | 354.095 |
| XLogP3 | -0.6459 |
| Mr | 83.5012 |
| PSA | 164.75 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 44 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C(O[C@@]1(C[C@@H](O)[C@@H]([C@@H](C1)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
